2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine

C17H20FN3 — CID 80948713

IUPAC2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cc(C)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C17H20FN3/c1-3-8-19-16-10-15(20-17(21-16)12-5-6-12)13-9-11(2)4-7-14(13)18/h4,7,9-10,12H,3,5-6,8H2,1-2H3,(H,19,20,21)
InChIKeyKWTFXVBIAGWHBK-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.29
Rot. Bonds5

About 2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine

2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine (PubChem CID 80948713) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
PubChem CID80948713
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cc(C)ccc2F)nc(C2CC2)n1
InChIInChI=1S/C17H20FN3/c1-3-8-19-16-10-15(20-17(21-16)12-5-6-12)13-9-11(2)4-7-14(13)18/h4,7,9-10,12H,3,5-6,8H2,1-2H3,(H,19,20,21)
InChIKeyKWTFXVBIAGWHBK-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80952552
2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 80952411
2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838352
2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 80949383
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952104
6-cyclopropyl-2-(3,4-difluorophenyl)-N-propylpyrimidin-4-amine
CID 63354131
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80966029

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine (CID 80948713) is 2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cc(C)ccc2F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is KWTFXVBIAGWHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-3-8-19-16-10-15(20-17(21-16)12-5-6-12)13-9-11(2)4-7-14(13)18/h4,7,9-10,12H,3,5-6,8H2,1-2H3,(H,19,20,21).
What are the key properties of 2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine?
2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80948713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).